WIEN97

WIEN97, A full potential linearized augmented plane wave package for calculating crystal properties. WIEN97. This program package allows you to perform electronic structure calculations of solids using the full-potential linearized-augmented-plane-wave (LAPW) method, one among the most accurate schemes for band structure calculations. It is based on density functional theory and uses the local (spin) density approximation (LDA) or the improved version of the generalized gradient approximation (GGA). It is an all-electron scheme including relativistic effects


References in zbMATH (referenced in 10 articles )

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  1. Wu, Ming-Hu; Zou, Wei-Dong: Electronic structure of the organic half-metallic magnet: 2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1h-3-oxoimidazol-1-oxyl (2006)
  2. Zhang, Jian; Yin, Zhen; Li, Guo-Ling; Zhang, Ming-Sheng: First-principle calculation of two-photon absorption in BaTiO$_3$ (2005)
  3. Gao, Shiwu: Linear-scaling parallelization of the WIEN package with MPI (2003) ioport
  4. Aray, Yosslen; Rodriguez, Jesus; Vega, David: An implementation of the atoms in molecules theory to the FPLAPW method (2002)
  5. Fahringer, T.; Sowa-Piekło, K.: Debugging real-world data-parallel programs with SPiDER. (2002)
  6. Fahringer, T.; Sowa-Piekło, K.; Czerwiński, P.; Brezany, P.; Bubak, M.; Koppler, R.; Wismüller, R.: SPiDER - An advanced symbolic debugger for Fortran 90/HPF programs (2002)
  7. Schwarz, K.; Blaha, P.; Madsen, G.K.H.: Electronic structure calculations of solids using the WIEN2k package for material sciences (2002)
  8. Truong, Hong-Linh; Fahringer, Thomas; Geissler, Michael; Madsen, Georg: Performance analysis for MPI applications with SCALEA (2002)
  9. Fahringer, T.; Blaha, P.; Hössinger, A.; Luitz, J.; Mehofer, E.; Moritsch, H.; Scholz, B.: Development and performance analysis of real-world applications for distributed and parallel architectures (2001)
  10. Fahringer, T.; Sowa-Piekło, K.; Luitz, J.; Moritsch, H.: On using SPiDER to examine and debug real-world data-parallel applications (2001)